Compound Detail
CHEMBL3350393
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O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1)OC1C2CC3CC(C2)CC1C3
Basic Information
| ChEMBL ID | CHEMBL3350393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZAXYDRLQGEYNI-SYEDPJBUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.35
ALogP
4
HBA
4
HBD
103.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 6.09 | 5.885 | 812.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 812.83 | nM | 6.09 | Cholecystokinin type B receptor binding assay performed on homogenized cerebral ... | 1578483 |
| Gastrin/cholecystokinin type B receptor | Ki | = | 2089.3 | nM | 5.68 | Cholecystokinin type B receptor binding assay performed on homogenized cerebral ... | 1578483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578483 | 10.1021/jm00087a011 | Gastrin/cholecystokinin type B receptor | 2 |
Data from ChEMBL 36 via Core Engine